#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz5 s LEU 2 N 0.00 4.35 0.66 4.03 1.43 -1.26 -5.05 118.68 122.84 1xz5 s LEU 2 Ca 0.00 1.62 -0.07 0.00 -1.03 0.00 0.00 54.13 54.65 1xz5 s LEU 2 Cb 0.00 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1xz5 s LEU 2 CO 0.00 -0.27 0.98 -0.94 0.23 0.00 0.00 176.35 176.35 1xz5 s SER 3 N 1.01 5.25 0.28 2.29 1.04 -1.26 -4.86 113.70 117.44 1xz5 s SER 3 Ca 0.51 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.61 1xz5 s SER 3 Cb -0.21 -1.51 0.41 0.00 0.10 0.00 0.00 66.02 64.82 1xz5 s SER 3 CO 0.26 -1.33 1.91 -0.65 0.98 0.00 0.00 173.24 174.41 1xz5 h PRO 4 N -0.44 1.14 -0.56 4.02 0.11 -1.99 -0.14 132.00 134.14 1xz5 h PRO 4 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1xz5 h PRO 4 Cb 1.28 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1xz5 h PRO 4 CO 0.61 0.76 0.27 0.00 -0.21 0.00 0.00 178.00 179.43 1xz5 h ALA 5 N 1.45 0.73 0.11 -0.75 0.00 -1.99 -1.73 119.26 117.09 1xz5 h ALA 5 Ca 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xz5 h ALA 5 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xz5 h ALA 5 CO -0.13 0.29 -0.12 -0.44 0.00 0.00 0.00 179.25 178.85 1xz5 h ASP 6 N 0.76 -0.33 -0.87 0.00 3.32 -1.74 0.34 116.42 117.90 1xz5 h ASP 6 Ca 0.19 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.34 1xz5 h ASP 6 Cb 0.12 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1xz5 h ASP 6 CO -0.02 -0.19 0.54 0.11 -1.72 0.00 0.00 179.24 177.96 1xz5 h LYS 7 N -0.27 0.95 0.59 3.56 1.57 -0.84 0.89 116.57 123.03 1xz5 h LYS 7 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1xz5 h LYS 7 Cb 0.26 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xz5 h LYS 7 CO -0.04 0.63 -0.29 1.15 -0.57 0.00 0.00 179.45 180.33 1xz5 h THR 8 N 0.98 0.40 -0.56 -0.16 2.02 -0.96 -0.75 112.91 113.88 1xz5 h THR 8 Ca 0.38 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.57 1xz5 h THR 8 Cb 0.18 0.44 -0.11 0.00 -1.74 0.00 0.00 68.15 66.92 1xz5 h THR 8 CO -0.18 0.02 -0.20 0.78 0.37 0.00 0.00 175.52 176.31 1xz5 h ASN 9 N -0.87 -0.70 -0.20 4.18 2.35 0.23 0.63 115.58 121.21 1xz5 h ASN 9 Ca -0.08 0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xz5 h ASN 9 Cb 0.64 0.41 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1xz5 h ASN 9 CO 0.13 -0.23 0.11 0.58 -1.65 0.00 0.00 177.43 176.38 1xz5 h VAL 10 N -0.06 1.11 -0.30 2.81 2.07 -0.72 -1.48 116.25 119.67 1xz5 h VAL 10 Ca 0.26 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1xz5 h VAL 10 Cb 0.47 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1xz5 h VAL 10 CO -0.60 0.10 -0.04 0.11 0.02 0.00 0.00 177.57 177.16 1xz5 h LYS 11 N 0.22 0.46 0.69 1.57 1.57 -0.50 -0.69 116.57 119.89 1xz5 h LYS 11 Ca 0.07 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1xz5 h LYS 11 Cb 0.06 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xz5 h LYS 11 CO -0.01 0.52 -0.33 0.00 -0.57 0.00 0.00 179.45 179.06 1xz5 h ALA 12 N 1.52 -1.01 -0.57 3.86 0.00 -0.61 -0.27 119.26 122.18 1xz5 h ALA 12 Ca 0.09 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xz5 h ALA 12 Cb 0.36 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1xz5 h ALA 12 CO 0.01 -0.94 0.05 0.00 0.00 0.00 0.00 179.25 178.37 1xz5 h ALA 13 N -1.36 0.61 -0.12 0.00 0.00 -1.22 -0.21 119.26 116.96 1xz5 h ALA 13 Ca -0.10 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xz5 h ALA 13 Cb 0.71 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xz5 h ALA 13 CO 0.16 -0.36 -0.50 2.35 0.00 0.00 0.00 179.25 180.90 1xz5 h TRP 14 N 0.17 0.39 -0.65 0.00 2.91 -1.19 -2.83 115.95 114.75 1xz5 h TRP 14 Ca 0.30 -0.13 0.11 0.00 1.13 0.00 0.00 58.89 60.30 1xz5 h TRP 14 Cb 0.46 -0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 28.95 1xz5 h TRP 14 CO -0.30 0.76 0.22 0.78 -1.03 0.00 0.00 178.44 178.87 1xz5 h GLY 15 N 1.28 0.91 2.00 2.65 0.00 0.76 -0.05 103.07 110.63 1xz5 h GLY 15 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1xz5 h GLY 15 CO 0.08 -0.06 -0.39 0.50 0.00 0.00 0.00 176.54 176.67 1xz5 h LYS 16 N 0.38 0.00 -0.18 4.80 1.79 -1.15 -3.19 116.57 119.02 1xz5 h LYS 16 Ca 0.34 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.85 1xz5 h LYS 16 Cb 0.47 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 1xz5 h LYS 16 CO -0.36 0.39 -0.12 0.28 -1.08 0.00 0.00 179.45 178.56 1xz5 h VAL 17 N 0.00 0.64 0.00 0.50 2.07 -0.83 -3.46 116.25 115.18 1xz5 h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xz5 h VAL 17 Cb 0.69 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1xz5 h VAL 17 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1xz5 n GLY 18 N -1.27 2.82 0.00 2.17 0.00 -1.17 -2.00 105.19 105.73 1xz5 n GLY 18 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xz5 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz5 n ALA 19 N 8.67 1.20 1.06 4.61 0.00 -1.26 -2.09 120.51 132.70 1xz5 n ALA 19 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1xz5 n ALA 19 Cb 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 19.45 18.52 1xz5 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz5 n HIS 20 N -1.35 0.00 -0.27 0.00 8.25 -0.85 -4.57 115.22 116.44 1xz5 n HIS 20 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1xz5 n HIS 20 Cb 0.01 -0.05 0.21 0.00 1.12 0.00 0.00 29.99 31.27 1xz5 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xz5 h ALA 21 N 3.57 0.97 -0.72 -1.41 0.00 -1.53 0.54 119.26 120.68 1xz5 h ALA 21 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1xz5 h ALA 21 Cb 0.62 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1xz5 h ALA 21 CO 0.00 -0.42 0.45 0.78 0.00 0.00 0.00 179.25 180.05 1xz5 h GLY 22 N 0.16 1.04 1.18 0.00 0.00 -1.85 0.53 103.07 104.14 1xz5 h GLY 22 Ca 0.46 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1xz5 h GLY 22 CO -0.64 0.28 0.03 0.83 0.00 0.00 0.00 176.54 177.04 1xz5 h GLU 23 N 0.87 0.99 -0.13 4.80 5.08 -1.28 -1.03 114.58 123.88 1xz5 h GLU 23 Ca 0.29 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1xz5 h GLU 23 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xz5 h GLU 23 CO -0.12 0.95 -0.71 1.88 -1.00 0.00 0.00 179.01 180.02 1xz5 h TYR 24 N 0.92 0.76 0.24 4.33 0.05 -0.47 -1.08 116.97 121.72 1xz5 h TYR 24 Ca 0.17 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 1xz5 h TYR 24 Cb 0.49 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1xz5 h TYR 24 CO 0.03 1.10 -0.36 0.78 -1.05 0.00 0.00 178.16 178.67 1xz5 h GLY 25 N 0.99 -1.13 -0.32 3.88 0.00 0.49 -0.37 103.07 106.62 1xz5 h GLY 25 Ca -0.03 0.55 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1xz5 h GLY 25 CO 0.13 -0.34 -0.16 0.00 0.00 0.00 0.00 176.54 176.18 1xz5 h ALA 26 N -1.04 0.44 -0.78 3.60 0.00 -1.20 -2.05 119.26 118.24 1xz5 h ALA 26 Ca -0.03 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1xz5 h ALA 26 Cb 0.57 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xz5 h ALA 26 CO -0.11 -0.42 0.29 1.49 0.00 0.00 0.00 179.25 180.51 1xz5 h GLU 27 N 0.00 1.17 -0.62 0.00 4.81 -0.78 -0.96 114.58 118.21 1xz5 h GLU 27 Ca 0.32 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1xz5 h GLU 27 Cb 0.49 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1xz5 h GLU 27 CO -0.68 0.96 0.39 0.00 -0.73 0.00 0.00 179.01 178.95 1xz5 h ALA 28 N 1.18 0.78 -0.17 2.92 0.00 -0.39 0.08 119.26 123.67 1xz5 h ALA 28 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xz5 h ALA 28 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xz5 h ALA 28 CO -0.02 0.24 0.07 -0.07 0.00 0.00 0.00 179.25 179.47 1xz5 h LEU 29 N 0.83 0.23 -0.94 0.00 3.38 -1.11 0.16 115.31 117.86 1xz5 h LEU 29 Ca 0.22 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1xz5 h LEU 29 Cb -0.06 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1xz5 h LEU 29 CO -0.05 0.32 0.59 -0.08 0.09 0.00 0.00 178.44 179.31 1xz5 h GLU 30 N 0.12 1.01 -0.30 1.13 4.81 -0.86 0.23 114.58 120.72 1xz5 h GLU 30 Ca 0.06 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1xz5 h GLU 30 Cb 0.16 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xz5 h GLU 30 CO -0.01 0.67 -0.37 0.00 -0.73 0.00 0.00 179.01 178.57 1xz5 h ARG 31 N 1.04 0.70 -0.29 1.92 3.08 -0.55 -2.77 114.38 117.51 1xz5 h ARG 31 Ca 0.42 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1xz5 h ARG 31 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xz5 h ARG 31 CO -0.19 0.96 0.07 1.98 -1.07 0.00 0.00 179.97 181.71 1xz5 h MET 32 N 0.58 0.46 -0.54 0.04 4.05 0.84 -1.04 114.93 119.32 1xz5 h MET 32 Ca 0.05 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1xz5 h MET 32 Cb 0.90 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1xz5 h MET 32 CO 0.08 0.54 0.28 0.74 0.23 0.00 0.00 176.91 178.79 1xz5 h PHE 33 N 0.30 0.72 0.22 1.39 0.04 -0.52 0.17 116.94 119.26 1xz5 h PHE 33 Ca 0.09 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 1xz5 h PHE 33 Cb 0.29 -0.23 0.03 0.00 2.20 0.00 0.00 35.95 38.24 1xz5 h PHE 33 CO 0.01 0.51 -1.37 -0.07 -0.60 0.00 0.00 178.31 176.80 1xz5 h LEU 34 N 0.74 0.73 0.15 1.54 3.38 -1.44 -3.25 115.31 117.16 1xz5 h LEU 34 Ca 0.19 -0.93 -0.30 0.00 0.09 0.00 0.00 57.88 56.93 1xz5 h LEU 34 Cb 0.03 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xz5 h LEU 34 CO -0.03 1.65 -1.31 0.28 0.09 0.00 0.00 178.44 179.12 1xz5 h SER 35 N 0.01 0.69 -2.84 -0.43 0.02 -1.07 -3.39 113.55 106.54 1xz5 h SER 35 Ca -0.25 -0.70 -0.61 0.00 -0.84 0.00 0.00 61.79 59.40 1xz5 h SER 35 Cb 2.04 -0.22 -0.40 0.00 0.14 0.00 0.00 62.40 63.95 1xz5 h SER 35 CO 0.23 1.53 -0.74 -0.36 -1.14 0.00 0.00 176.83 176.35 1xz5 s PHE 36 N -2.76 2.50 0.59 3.45 0.40 0.57 -4.98 117.98 117.76 1xz5 s PHE 36 Ca -0.07 -2.89 0.41 0.00 -0.60 0.00 0.00 56.93 53.78 1xz5 s PHE 36 Cb 0.06 -1.95 2.23 0.00 0.51 0.00 0.00 43.02 43.86 1xz5 s PHE 36 CO 0.92 -0.67 2.25 -1.00 0.70 0.00 0.00 175.22 177.42 1xz5 h PRO 37 N 5.57 0.00 0.00 0.24 0.13 -1.73 -1.22 132.00 134.99 1xz5 h PRO 37 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 1xz5 h PRO 37 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1xz5 h PRO 37 CO 0.57 0.00 -0.18 1.79 -0.23 0.00 0.00 178.00 179.95 1xz5 h THR 38 N 0.00 0.63 0.00 1.56 1.35 -1.91 -2.36 112.91 112.18 1xz5 h THR 38 Ca 0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1xz5 h THR 38 Cb 0.09 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1xz5 h THR 38 CO 0.00 0.17 -0.02 0.71 -0.25 0.00 0.00 175.52 176.14 1xz5 h THR 39 N 0.00 0.07 0.00 6.82 1.35 -1.54 -2.39 112.91 117.21 1xz5 h THR 39 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xz5 h THR 39 Cb 0.49 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1xz5 h THR 39 CO 0.02 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1xz5 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.60 -2.98 116.57 118.28 1xz5 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz5 h LYS 40 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xz5 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1xz5 h THR 41 N 0.00 0.00 -0.13 -0.16 1.35 -1.63 -0.79 112.91 111.54 1xz5 h THR 41 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1xz5 h THR 41 Cb 0.28 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1xz5 h THR 41 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1xz5 n TYR 42 N -2.70 0.14 -2.55 4.73 4.01 -1.12 -4.37 117.16 115.29 1xz5 n TYR 42 Ca -0.02 -0.07 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1xz5 n TYR 42 Cb 0.06 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1xz5 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xz5 n PHE 43 N 1.08 1.98 0.26 -0.72 3.01 -0.30 -4.88 117.46 117.89 1xz5 n PHE 43 Ca 0.16 -2.61 0.11 0.00 1.01 0.00 0.00 57.45 56.12 1xz5 n PHE 43 Cb 0.53 -0.27 0.70 0.00 -0.01 0.00 0.00 39.48 40.43 1xz5 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xz5 h PRO 44 N 2.66 0.00 -0.13 -1.08 0.13 -1.76 -1.99 132.00 129.82 1xz5 h PRO 44 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1xz5 h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xz5 h PRO 44 CO 0.55 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.03 1xz5 n HIS 45 N -3.98 0.17 -4.09 1.56 1.44 -1.26 -4.88 115.22 104.19 1xz5 n HIS 45 Ca -0.02 -0.09 -0.22 0.00 -2.01 0.00 0.00 57.72 55.38 1xz5 n HIS 45 Cb 0.19 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 1xz5 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz5 s PHE 46 N -1.83 2.96 -0.42 -1.40 2.99 -0.75 -5.08 117.98 114.45 1xz5 s PHE 46 Ca 0.30 -0.19 -0.17 0.00 0.00 0.00 0.00 56.93 56.87 1xz5 s PHE 46 Cb 0.16 -1.46 0.02 0.00 0.00 0.00 0.00 43.02 41.74 1xz5 s PHE 46 CO 0.24 0.46 0.45 0.34 -0.00 0.00 0.00 175.22 176.71 1xz5 s ASP 47 N -3.84 6.20 0.00 1.36 2.15 -1.26 -4.95 116.67 116.34 1xz5 s ASP 47 Ca 0.35 -0.64 0.15 0.00 0.43 0.00 0.00 52.55 52.83 1xz5 s ASP 47 Cb -0.07 -2.23 0.44 0.00 -0.30 0.00 0.00 42.92 40.76 1xz5 s ASP 47 CO 0.24 -0.59 1.36 0.18 -0.17 0.00 0.00 175.17 176.19 1xz5 n LEU 48 N 5.64 2.57 -4.76 -1.34 4.77 -1.26 -4.44 117.00 118.18 1xz5 n LEU 48 Ca -0.07 -1.27 -0.34 0.00 -0.03 0.00 0.00 56.01 54.29 1xz5 n LEU 48 Cb 0.47 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1xz5 n LEU 48 CO 0.46 0.64 0.78 -0.94 -1.33 0.00 0.00 177.39 177.00 1xz5 s SER 49 N -1.03 5.17 0.13 -1.43 1.04 -1.26 -4.92 113.70 111.40 1xz5 s SER 49 Ca 0.32 2.19 -0.33 0.00 0.48 0.00 0.00 55.95 58.61 1xz5 s SER 49 Cb 0.17 -2.58 -0.13 0.00 0.10 0.00 0.00 66.02 63.59 1xz5 s SER 49 CO 0.22 -1.60 1.68 1.57 0.98 0.00 0.00 173.24 176.10 1xz5 n HIS 50 N -1.96 2.42 -1.47 5.02 -0.00 -1.26 -1.64 115.22 116.33 1xz5 n HIS 50 Ca 0.12 0.13 -0.09 0.00 0.46 0.00 0.00 57.72 58.34 1xz5 n HIS 50 Cb 0.51 -2.61 -0.03 0.00 -0.12 0.00 0.00 29.99 27.74 1xz5 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz5 n GLY 51 N 3.77 0.81 3.76 1.57 0.00 -1.26 -5.00 105.19 108.83 1xz5 n GLY 51 Ca 0.18 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1xz5 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xz5 s SER 52 N -2.84 6.82 0.53 1.61 1.04 -0.65 -4.89 113.70 115.33 1xz5 s SER 52 Ca 0.00 2.59 0.27 0.00 0.48 0.00 0.00 55.95 59.29 1xz5 s SER 52 Cb 0.00 -2.64 1.49 0.00 0.10 0.00 0.00 66.02 64.98 1xz5 s SER 52 CO 0.00 -0.53 2.10 0.00 0.98 0.00 0.00 173.24 175.80 1xz5 h ALA 53 N 4.07 1.37 -0.23 5.32 0.00 -1.90 0.09 119.26 127.98 1xz5 h ALA 53 Ca -0.47 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1xz5 h ALA 53 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xz5 h ALA 53 CO 0.70 0.12 -0.14 1.96 0.00 0.00 0.00 179.25 181.89 1xz5 h GLN 54 N 0.00 0.50 -0.25 0.00 4.20 -1.90 0.13 115.11 117.79 1xz5 h GLN 54 Ca -0.00 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1xz5 h GLN 54 Cb 0.26 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1xz5 h GLN 54 CO 0.01 0.79 0.03 0.28 -0.67 0.00 0.00 178.83 179.28 1xz5 h VAL 55 N 0.20 1.23 0.17 -0.54 2.07 -1.61 -0.74 116.25 117.03 1xz5 h VAL 55 Ca 0.05 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xz5 h VAL 55 Cb 0.66 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1xz5 h VAL 55 CO 0.04 0.25 -0.38 0.11 0.02 0.00 0.00 177.57 177.61 1xz5 h LYS 56 N 0.23 -0.62 -0.85 1.57 1.57 -0.91 0.18 116.57 117.74 1xz5 h LYS 56 Ca 0.08 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1xz5 h LYS 56 Cb 0.34 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1xz5 h LYS 56 CO 0.01 -0.42 0.50 0.78 -0.57 0.00 0.00 179.45 179.75 1xz5 h GLY 57 N -0.65 1.31 1.51 3.86 0.00 -0.67 -1.10 103.07 107.32 1xz5 h GLY 57 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1xz5 h GLY 57 CO -0.19 0.18 -0.21 0.84 0.00 0.00 0.00 176.54 177.15 1xz5 h HIS 58 N 0.86 0.64 -0.55 5.60 -0.00 -0.56 -2.51 115.15 118.64 1xz5 h HIS 58 Ca 0.40 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.65 1xz5 h HIS 58 Cb 0.30 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1xz5 h HIS 58 CO -0.05 0.75 0.34 0.78 -0.00 0.00 0.00 177.93 179.75 1xz5 h GLY 59 N 0.99 0.78 0.73 5.26 0.00 0.55 -0.67 103.07 110.72 1xz5 h GLY 59 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1xz5 h GLY 59 CO 0.05 0.24 -0.17 1.70 0.00 0.00 0.00 176.54 178.35 1xz5 h LYS 60 N 0.69 -0.34 -0.52 4.80 3.64 -1.00 0.35 116.57 124.20 1xz5 h LYS 60 Ca 0.21 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1xz5 h LYS 60 Cb -0.02 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 1xz5 h LYS 60 CO -0.08 -0.22 -0.00 0.87 -2.27 0.00 0.00 179.45 177.75 1xz5 h LYS 61 N -0.35 0.11 -0.21 1.90 1.57 -1.02 0.18 116.57 118.74 1xz5 h LYS 61 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xz5 h LYS 61 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xz5 h LYS 61 CO -0.08 0.07 0.04 0.28 -0.57 0.00 0.00 179.45 179.20 1xz5 h VAL 62 N 0.11 1.21 0.12 0.50 2.07 -0.83 -2.55 116.25 116.89 1xz5 h VAL 62 Ca 0.26 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1xz5 h VAL 62 Cb 0.40 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1xz5 h VAL 62 CO -0.43 0.22 -0.23 0.00 0.02 0.00 0.00 177.57 177.14 1xz5 h ALA 63 N 0.85 -0.39 -0.96 1.67 0.00 -0.11 -1.57 119.26 118.75 1xz5 h ALA 63 Ca 0.07 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1xz5 h ALA 63 Cb 0.29 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1xz5 h ALA 63 CO 0.00 -0.76 0.61 -0.44 0.00 0.00 0.00 179.25 178.66 1xz5 h ASP 64 N -0.43 0.64 0.18 0.00 5.19 -0.63 0.49 116.42 121.86 1xz5 h ASP 64 Ca 0.03 0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 56.34 1xz5 h ASP 64 Cb 0.45 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1xz5 h ASP 64 CO -0.13 0.25 -0.62 0.00 -3.12 0.00 0.00 179.24 175.62 1xz5 h ALA 65 N 1.62 0.70 -0.59 3.45 0.00 -1.00 -1.26 119.26 122.18 1xz5 h ALA 65 Ca 0.52 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xz5 h ALA 65 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xz5 h ALA 65 CO -0.28 0.72 0.16 -0.07 0.00 0.00 0.00 179.25 179.78 1xz5 h LEU 66 N 0.32 0.88 -0.01 0.00 3.38 0.01 -1.39 115.31 118.49 1xz5 h LEU 66 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1xz5 h LEU 66 Cb 1.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1xz5 h LEU 66 CO 0.11 0.87 -0.07 0.74 0.09 0.00 0.00 178.44 180.18 1xz5 h THR 67 N 0.85 0.81 -0.71 0.22 2.02 -1.03 -1.42 112.91 113.65 1xz5 h THR 67 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1xz5 h THR 67 Cb 0.32 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1xz5 h THR 67 CO -0.00 0.00 0.47 -1.13 0.37 0.00 0.00 175.52 175.23 1xz5 h ASN 68 N -0.12 0.69 0.23 4.18 -1.24 -0.97 -1.22 115.58 117.13 1xz5 h ASN 68 Ca 0.03 -0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 1xz5 h ASN 68 Cb 0.16 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1xz5 h ASN 68 CO -0.08 0.46 -0.52 0.00 -1.29 0.00 0.00 177.43 176.00 1xz5 h ALA 69 N 1.60 0.90 -0.26 1.57 0.00 -0.65 -2.09 119.26 120.34 1xz5 h ALA 69 Ca 0.29 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1xz5 h ALA 69 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xz5 h ALA 69 CO -0.09 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.68 1xz5 h VAL 70 N 0.26 1.30 -0.44 0.00 2.07 -0.55 0.23 116.25 119.12 1xz5 h VAL 70 Ca 0.01 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1xz5 h VAL 70 Cb 0.99 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1xz5 h VAL 70 CO 0.08 0.52 0.15 0.00 0.02 0.00 0.00 177.57 178.35 1xz5 h ALA 71 N 0.66 1.45 -0.79 1.67 0.00 -1.20 -2.74 119.26 118.31 1xz5 h ALA 71 Ca 0.02 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1xz5 h ALA 71 Cb 1.03 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 1xz5 h ALA 71 CO 0.10 0.42 -0.52 0.72 0.00 0.00 0.00 179.25 179.96 1xz5 n HIS 72 N -4.35 2.81 -0.14 0.00 8.25 -0.79 -4.78 115.22 116.22 1xz5 n HIS 72 Ca 0.03 -2.35 0.27 0.00 -0.26 0.00 0.00 57.72 55.41 1xz5 n HIS 72 Cb 0.17 -0.53 0.72 0.00 1.12 0.00 0.00 29.99 31.46 1xz5 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz5 h VAL 73 N 1.97 0.57 0.00 1.59 3.04 -0.62 0.19 116.25 122.98 1xz5 h VAL 73 Ca 0.41 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.90 1xz5 h VAL 73 Cb 1.41 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.24 1xz5 h VAL 73 CO 0.90 0.00 -0.95 0.44 -1.01 0.00 0.00 177.57 176.95 1xz5 h ASP 74 N 0.00 0.00 -0.80 3.17 3.32 -1.86 -3.38 116.42 116.88 1xz5 h ASP 74 Ca 0.39 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.99 1xz5 h ASP 74 Cb 1.60 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.73 1xz5 h ASP 74 CO -0.00 0.89 -0.93 -0.67 -1.72 0.00 0.00 179.24 176.81 1xz5 n ASP 75 N -3.30 3.63 -0.06 6.45 2.03 0.57 -4.93 116.55 120.94 1xz5 n ASP 75 Ca -0.01 -3.16 -0.08 0.00 0.52 0.00 0.00 54.79 52.06 1xz5 n ASP 75 Cb 0.90 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.88 1xz5 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz5 h MET 76 N 2.43 -0.22 -0.97 -0.67 2.86 -1.50 0.53 114.93 117.40 1xz5 h MET 76 Ca 0.17 0.02 0.25 0.00 -2.06 0.00 0.00 59.70 58.07 1xz5 h MET 76 Cb 1.34 0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.92 1xz5 h MET 76 CO 0.59 -0.15 0.52 -1.35 1.06 0.00 0.00 176.91 177.58 1xz5 h PRO 77 N -0.23 0.47 0.20 -0.22 0.11 -1.91 0.28 132.00 130.69 1xz5 h PRO 77 Ca 0.15 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.88 1xz5 h PRO 77 Cb 0.46 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.48 1xz5 h PRO 77 CO -0.41 0.31 -1.70 -0.91 -0.21 0.00 0.00 178.00 175.08 1xz5 h ASN 78 N 0.49 0.66 0.12 -2.05 4.21 -1.67 -2.90 115.58 114.45 1xz5 h ASN 78 Ca 0.63 -0.92 -0.04 0.00 1.21 0.00 0.00 56.30 57.17 1xz5 h ASN 78 Cb 1.22 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 1xz5 h ASN 78 CO -0.51 1.77 -0.16 0.00 -1.29 0.00 0.00 177.43 177.24 1xz5 h ALA 79 N 0.13 1.63 -0.35 -0.83 0.00 0.14 -3.08 119.26 116.89 1xz5 h ALA 79 Ca -0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xz5 h ALA 79 Cb 2.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1xz5 h ALA 79 CO 0.20 0.27 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1xz5 n LEU 80 N -4.30 3.93 -0.13 0.00 4.77 0.84 -4.76 117.00 117.34 1xz5 n LEU 80 Ca -0.02 -2.71 -0.08 0.00 -0.03 0.00 0.00 56.01 53.17 1xz5 n LEU 80 Cb 0.25 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1xz5 n LEU 80 CO 0.37 0.70 0.62 0.77 -1.33 0.00 0.00 177.39 178.52 1xz5 h SER 81 N 2.30 -1.20 -0.88 -1.43 4.64 -1.42 -0.48 113.55 115.08 1xz5 h SER 81 Ca 0.00 0.20 0.08 0.00 -0.47 0.00 0.00 61.79 61.61 1xz5 h SER 81 Cb 1.33 0.55 -0.07 0.00 -0.31 0.00 0.00 62.40 63.90 1xz5 h SER 81 CO 0.20 -0.33 0.54 0.00 -0.87 0.00 0.00 176.83 176.36 1xz5 h ALA 82 N 0.68 1.25 -0.36 5.18 0.00 -1.86 -1.80 119.26 122.36 1xz5 h ALA 82 Ca 0.17 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1xz5 h ALA 82 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xz5 h ALA 82 CO -0.57 0.23 -0.27 -0.07 0.00 0.00 0.00 179.25 178.57 1xz5 h LEU 83 N 0.94 0.76 -1.05 0.00 4.07 -1.65 -0.74 115.31 117.64 1xz5 h LEU 83 Ca 0.41 -0.29 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 1xz5 h LEU 83 Cb 0.28 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1xz5 h LEU 83 CO -0.21 0.99 -0.05 0.28 -1.08 0.00 0.00 178.44 178.36 1xz5 h SER 84 N 0.63 0.59 0.78 -0.43 0.02 -0.35 -1.94 113.55 112.85 1xz5 h SER 84 Ca 0.08 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1xz5 h SER 84 Cb 0.78 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1xz5 h SER 84 CO 0.06 0.69 -0.38 0.44 -1.14 0.00 0.00 176.83 176.51 1xz5 h ASP 85 N 0.57 -0.89 -0.43 3.07 3.32 -1.16 -1.31 116.42 119.60 1xz5 h ASP 85 Ca 0.11 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.27 1xz5 h ASP 85 Cb 0.45 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 1xz5 h ASP 85 CO 0.02 -0.54 -0.26 0.25 -1.72 0.00 0.00 179.24 176.99 1xz5 h LEU 86 N -1.25 -0.88 -0.57 1.55 5.85 -1.01 0.16 115.31 119.15 1xz5 h LEU 86 Ca -0.11 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1xz5 h LEU 86 Cb 0.82 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1xz5 h LEU 86 CO 0.18 -0.28 0.08 0.45 -0.34 0.00 0.00 178.44 178.53 1xz5 h HIS 87 N -0.18 1.01 -0.29 1.25 3.86 -1.41 0.89 115.15 120.28 1xz5 h HIS 87 Ca 0.20 -0.14 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1xz5 h HIS 87 Cb 0.49 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 1xz5 h HIS 87 CO -0.50 0.89 -0.36 0.00 0.86 0.00 0.00 177.93 178.82 1xz5 h ALA 88 N 1.00 0.43 0.00 2.45 0.00 -0.52 0.47 119.26 123.09 1xz5 h ALA 88 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xz5 h ALA 88 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xz5 h ALA 88 CO 0.01 0.50 -1.87 0.72 0.00 0.00 0.00 179.25 178.61 1xz5 n HIS 89 N -4.20 0.00 0.00 0.00 8.25 0.48 -4.57 115.22 115.19 1xz5 n HIS 89 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1xz5 n HIS 89 Cb 0.51 -0.43 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 1xz5 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz5 n LYS 90 N -2.16 0.01 0.01 -0.41 4.81 0.22 -4.87 118.16 115.78 1xz5 n LYS 90 Ca -0.03 0.01 -0.11 0.00 -0.87 0.00 0.00 58.31 57.30 1xz5 n LYS 90 Cb 0.50 -0.22 -0.06 0.00 0.02 0.00 0.00 35.03 35.27 1xz5 n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xz5 h ALA 91 N -0.66 0.08 -6.29 3.14 0.00 -1.44 -3.47 119.26 110.62 1xz5 h ALA 91 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1xz5 h ALA 91 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xz5 h ALA 91 CO 0.00 -0.43 -0.82 0.54 0.00 0.00 0.00 179.25 178.55 1xz5 n ARG 92 N -5.05 -4.68 -2.26 0.00 1.74 0.17 -4.92 116.66 101.66 1xz5 n ARG 92 Ca -0.06 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 1xz5 n ARG 92 Cb 0.03 -5.15 -0.03 0.00 -1.02 0.00 0.00 32.46 26.29 1xz5 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xz5 s VAL 93 N -3.57 3.06 0.26 1.55 1.01 -1.26 -4.96 120.40 116.48 1xz5 s VAL 93 Ca 0.28 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1xz5 s VAL 93 Cb -0.14 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1xz5 s VAL 93 CO 0.84 0.23 1.35 -0.62 0.00 0.00 0.00 175.10 176.90 1xz5 s ASP 94 N -0.49 6.79 0.55 3.32 2.15 -1.26 -4.89 116.67 122.84 1xz5 s ASP 94 Ca 0.49 2.57 0.30 0.00 0.43 0.00 0.00 52.55 56.34 1xz5 s ASP 94 Cb -0.37 -2.63 1.46 0.00 -0.30 0.00 0.00 42.92 41.09 1xz5 s ASP 94 CO 0.47 -0.58 1.90 -0.65 -0.17 0.00 0.00 175.17 176.14 1xz5 h PRO 95 N 4.60 0.00 -0.36 4.34 0.11 -2.00 -1.55 132.00 137.14 1xz5 h PRO 95 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xz5 h PRO 95 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xz5 h PRO 95 CO 0.73 0.00 0.24 0.28 -0.21 0.00 0.00 178.00 179.04 1xz5 h VAL 96 N 0.00 1.08 0.00 3.15 2.07 -2.04 -2.14 116.25 118.37 1xz5 h VAL 96 Ca 0.35 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1xz5 h VAL 96 Cb 1.49 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1xz5 h VAL 96 CO -0.00 0.09 -0.11 0.78 0.02 0.00 0.00 177.57 178.34 1xz5 h ASN 97 N 0.47 0.00 0.01 0.57 4.21 -1.65 -2.83 115.58 116.36 1xz5 h ASN 97 Ca 0.13 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.58 1xz5 h ASN 97 Cb -0.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 1xz5 h ASN 97 CO -0.03 0.11 -0.16 -0.26 -1.29 0.00 0.00 177.43 175.80 1xz5 h PHE 98 N 0.00 0.32 -0.18 1.19 0.04 -1.55 -2.31 116.94 114.46 1xz5 h PHE 98 Ca -0.00 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 1xz5 h PHE 98 Cb 0.27 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1xz5 h PHE 98 CO 0.00 0.46 -0.29 0.87 -0.60 0.00 0.00 178.31 178.75 1xz5 h LYS 99 N 0.28 0.35 -0.15 1.51 1.57 -1.66 -1.37 116.57 117.10 1xz5 h LYS 99 Ca 0.05 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1xz5 h LYS 99 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xz5 h LYS 99 CO 0.03 0.61 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.16 1xz5 h LEU 100 N 0.31 0.51 -0.44 2.94 3.38 -1.52 -2.08 115.31 118.41 1xz5 h LEU 100 Ca 0.04 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 1xz5 h LEU 100 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1xz5 h LEU 100 CO 0.05 0.97 -0.04 0.25 0.09 0.00 0.00 178.44 179.76 1xz5 h LEU 101 N 0.08 0.79 -0.05 1.67 6.46 -1.44 -2.54 115.31 120.28 1xz5 h LEU 101 Ca 0.01 -0.33 0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1xz5 h LEU 101 Cb 0.88 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1xz5 h LEU 101 CO 0.06 0.93 -0.14 0.28 -0.62 0.00 0.00 178.44 178.95 1xz5 h SER 102 N 0.64 -0.43 -0.53 1.25 0.02 -1.22 -1.29 113.55 111.99 1xz5 h SER 102 Ca 0.12 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1xz5 h SER 102 Cb 0.55 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 1xz5 h SER 102 CO 0.03 -0.20 0.22 -0.74 -1.14 0.00 0.00 176.83 175.01 1xz5 h HIS 103 N -0.22 0.40 0.00 3.45 -0.00 -1.38 -1.53 115.15 115.88 1xz5 h HIS 103 Ca 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1xz5 h HIS 103 Cb 0.31 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1xz5 h HIS 103 CO -0.23 0.16 -0.17 0.00 -0.00 0.00 0.00 177.93 177.69 1xz5 h LEU 105 N 0.00 0.89 0.43 0.00 5.85 -0.30 -2.19 115.31 119.99 1xz5 h LEU 105 Ca -0.00 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1xz5 h LEU 105 Cb 0.33 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1xz5 h LEU 105 CO 0.02 1.44 -0.21 -0.07 -0.34 0.00 0.00 178.44 179.28 1xz5 h LEU 106 N 0.42 -0.49 -0.70 2.25 3.38 -0.62 -1.46 115.31 118.09 1xz5 h LEU 106 Ca -0.08 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.03 1xz5 h LEU 106 Cb 1.50 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 1xz5 h LEU 106 CO 0.17 -0.31 0.10 0.58 0.09 0.00 0.00 178.44 179.07 1xz5 h VAL 107 N -0.64 0.48 -0.79 1.22 2.07 -1.19 0.36 116.25 117.76 1xz5 h VAL 107 Ca -0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xz5 h VAL 107 Cb 0.48 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1xz5 h VAL 107 CO 0.10 0.04 0.46 0.74 0.02 0.00 0.00 177.57 178.93 1xz5 h THR 108 N 0.20 1.23 -0.31 2.57 2.02 -1.20 -1.95 112.91 115.47 1xz5 h THR 108 Ca 0.39 -0.52 -0.18 0.00 0.77 0.00 0.00 66.41 66.87 1xz5 h THR 108 Cb 0.66 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1xz5 h THR 108 CO -0.54 0.24 -0.51 -0.07 0.37 0.00 0.00 175.52 175.01 1xz5 h LEU 109 N 1.09 0.97 -0.12 2.58 3.38 0.22 -2.76 115.31 120.67 1xz5 h LEU 109 Ca 0.28 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1xz5 h LEU 109 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1xz5 h LEU 109 CO -0.05 1.30 -0.13 0.00 0.09 0.00 0.00 178.44 179.65 1xz5 h ALA 110 N 0.72 -0.05 0.00 1.53 0.00 -0.05 0.33 119.26 121.75 1xz5 h ALA 110 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xz5 h ALA 110 Cb 1.11 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xz5 h ALA 110 CO 0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 179.25 178.72 1xz5 h ALA 111 N 0.89 1.34 0.00 0.00 0.00 -1.39 -3.23 119.26 116.87 1xz5 h ALA 111 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xz5 h ALA 111 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xz5 h ALA 111 CO -0.22 0.07 -1.37 0.72 0.00 0.00 0.00 179.25 178.45 1xz5 n HIS 112 N -3.64 0.00 -3.11 0.00 -0.00 -0.85 -4.76 115.22 102.86 1xz5 n HIS 112 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 1xz5 n HIS 112 Cb 0.16 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.99 29.92 1xz5 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz5 n LEU 113 N -1.79 2.81 0.03 2.41 4.77 0.11 -4.96 117.00 120.38 1xz5 n LEU 113 Ca -0.02 -5.34 -0.13 0.00 -0.03 0.00 0.00 56.01 50.49 1xz5 n LEU 113 Cb 0.22 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1xz5 n LEU 113 CO 0.18 2.27 0.58 1.55 -1.33 0.00 0.00 177.39 180.64 1xz5 h PRO 114 N 3.25 -0.52 -0.86 3.23 0.13 -1.78 -0.14 132.00 135.30 1xz5 h PRO 114 Ca 0.12 0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.36 1xz5 h PRO 114 Cb 0.71 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.90 1xz5 h PRO 114 CO 0.69 -0.35 0.56 0.00 -0.23 0.00 0.00 178.00 178.67 1xz5 h ALA 115 N 0.02 1.58 0.00 -0.56 0.00 -1.93 -2.82 119.26 115.55 1xz5 h ALA 115 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xz5 h ALA 115 Cb 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xz5 h ALA 115 CO -0.35 0.27 -0.50 0.39 0.00 0.00 0.00 179.25 179.07 1xz5 n GLU 116 N -4.50 0.13 -1.86 0.00 4.71 -0.88 -4.47 120.64 113.78 1xz5 n GLU 116 Ca 0.13 0.04 -0.38 0.00 -0.01 0.00 0.00 57.16 56.94 1xz5 n GLU 116 Cb 0.23 -1.58 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 1xz5 n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xz5 n PHE 117 N -1.77 2.42 -1.63 -0.32 7.35 -0.12 -4.79 117.46 118.61 1xz5 n PHE 117 Ca 0.05 -2.72 -0.30 0.00 -0.76 0.00 0.00 57.45 53.71 1xz5 n PHE 117 Cb 0.38 -1.84 0.07 0.00 0.35 0.00 0.00 39.48 38.44 1xz5 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz5 s THR 118 N -0.96 3.53 0.25 -2.13 -4.23 -1.26 -4.75 115.64 106.09 1xz5 s THR 118 Ca 0.56 0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 1xz5 s THR 118 Cb 0.21 -3.29 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1xz5 s THR 118 CO -0.11 -0.65 1.75 -0.65 -0.54 0.00 0.00 174.62 174.42 1xz5 h PRO 119 N -0.86 0.52 -0.20 3.99 0.11 -1.98 0.44 132.00 134.02 1xz5 h PRO 119 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1xz5 h PRO 119 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xz5 h PRO 119 CO 0.59 0.34 -0.40 0.00 -0.21 0.00 0.00 178.00 178.33 1xz5 h ALA 120 N 1.55 0.95 -0.02 -0.75 0.00 -1.97 -2.05 119.26 116.97 1xz5 h ALA 120 Ca 0.44 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1xz5 h ALA 120 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xz5 h ALA 120 CO -0.38 0.62 -0.90 0.28 0.00 0.00 0.00 179.25 178.87 1xz5 h VAL 121 N 0.37 1.39 -0.45 0.00 2.07 -1.55 -2.64 116.25 115.44 1xz5 h VAL 121 Ca 0.03 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.20 1xz5 h VAL 121 Cb 0.86 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 1xz5 h VAL 121 CO 0.07 0.71 0.28 -0.74 0.02 0.00 0.00 177.57 177.91 1xz5 h HIS 122 N 0.25 0.53 -0.09 1.57 6.17 0.02 -1.26 115.15 122.35 1xz5 h HIS 122 Ca -0.07 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.02 1xz5 h HIS 122 Cb 1.52 -0.17 -0.00 0.00 2.52 0.00 0.00 27.41 31.27 1xz5 h HIS 122 CO 0.06 0.32 0.05 0.00 0.71 0.00 0.00 177.93 179.07 1xz5 h ALA 123 N 1.18 0.11 -0.11 5.26 0.00 -1.37 -2.18 119.26 122.16 1xz5 h ALA 123 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xz5 h ALA 123 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xz5 h ALA 123 CO -0.06 -0.35 0.07 0.77 0.00 0.00 0.00 179.25 179.68 1xz5 h SER 124 N 0.05 0.13 -0.75 0.00 0.02 -1.30 -2.24 113.55 109.47 1xz5 h SER 124 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xz5 h SER 124 Cb 0.07 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1xz5 h SER 124 CO -0.01 0.12 0.45 -0.07 -1.14 0.00 0.00 176.83 176.18 1xz5 h LEU 125 N 0.14 0.91 0.08 5.07 3.38 -1.20 -1.24 115.31 122.45 1xz5 h LEU 125 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xz5 h LEU 125 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xz5 h LEU 125 CO -0.01 0.70 -0.08 -0.78 0.09 0.00 0.00 178.44 178.36 1xz5 h ASP 126 N 1.03 -0.22 -0.42 -0.43 3.58 -1.24 0.07 116.42 118.79 1xz5 h ASP 126 Ca 0.27 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.76 1xz5 h ASP 126 Cb -0.03 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1xz5 h ASP 126 CO -0.05 -0.13 0.28 0.11 -2.88 0.00 0.00 179.24 176.57 1xz5 h LYS 127 N -0.19 0.49 -0.11 0.28 1.57 -1.23 0.19 116.57 117.57 1xz5 h LYS 127 Ca 0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1xz5 h LYS 127 Cb 0.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xz5 h LYS 127 CO -0.03 0.33 -0.07 0.35 -0.57 0.00 0.00 179.45 179.46 1xz5 h PHE 128 N 0.51 0.29 -0.24 -1.35 3.57 -0.67 0.19 116.94 119.24 1xz5 h PHE 128 Ca 0.16 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1xz5 h PHE 128 Cb 0.03 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1xz5 h PHE 128 CO -0.00 0.61 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.31 1xz5 h LEU 129 N -0.12 0.50 -0.54 0.59 3.38 -0.61 -0.18 115.31 118.33 1xz5 h LEU 129 Ca 0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1xz5 h LEU 129 Cb 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xz5 h LEU 129 CO 0.02 0.79 0.18 0.00 0.09 0.00 0.00 178.44 179.51 1xz5 h ALA 130 N 1.25 0.70 -0.47 1.53 0.00 -0.81 0.33 119.26 121.79 1xz5 h ALA 130 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xz5 h ALA 130 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xz5 h ALA 130 CO 0.06 0.35 0.22 0.77 0.00 0.00 0.00 179.25 180.65 1xz5 h SER 131 N 0.74 0.63 -0.91 0.00 0.02 -0.52 -0.76 113.55 112.75 1xz5 h SER 131 Ca 0.17 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1xz5 h SER 131 Cb 0.26 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1xz5 h SER 131 CO -0.01 0.59 0.52 0.58 -1.14 0.00 0.00 176.83 177.38 1xz5 h VAL 132 N 0.62 1.26 -0.27 2.27 2.07 -0.76 -1.52 116.25 119.92 1xz5 h VAL 132 Ca 0.16 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1xz5 h VAL 132 Cb 0.14 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1xz5 h VAL 132 CO -0.02 0.28 0.07 0.28 0.02 0.00 0.00 177.57 178.20 1xz5 h SER 133 N 1.27 0.40 -0.47 0.57 0.02 -0.48 -1.47 113.55 113.39 1xz5 h SER 133 Ca 0.32 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1xz5 h SER 133 Cb -0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1xz5 h SER 133 CO -0.06 0.52 0.22 0.74 -1.14 0.00 0.00 176.83 177.12 1xz5 h THR 134 N 0.26 0.94 -0.05 -2.27 2.02 -0.87 -1.72 112.91 111.21 1xz5 h THR 134 Ca 0.08 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xz5 h THR 134 Cb 0.27 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xz5 h THR 134 CO 0.00 0.08 0.02 0.58 0.37 0.00 0.00 175.52 176.57 1xz5 h VAL 135 N 0.44 1.14 0.00 3.16 2.07 -1.08 -1.11 116.25 120.87 1xz5 h VAL 135 Ca 0.21 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1xz5 h VAL 135 Cb 0.14 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1xz5 h VAL 135 CO -0.16 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.47 1xz5 h LEU 136 N -0.08 0.00 -2.51 2.57 3.38 -0.98 -2.62 115.31 115.07 1xz5 h LEU 136 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xz5 h LEU 136 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xz5 h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1xz5 n THR 137 N -2.98 0.75 0.20 0.22 -2.24 -0.67 -4.50 114.28 105.06 1xz5 n THR 137 Ca -0.02 -0.87 0.06 0.00 -2.27 0.00 0.00 64.05 60.95 1xz5 n THR 137 Cb 0.14 0.66 0.40 0.00 -2.10 0.00 0.00 70.33 69.43 1xz5 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xz5 h SER 138 N 1.18 0.00 -0.59 3.42 4.64 -0.80 -3.18 113.55 118.21 1xz5 h SER 138 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1xz5 h SER 138 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1xz5 h SER 138 CO 0.00 0.34 0.05 0.29 -0.87 0.00 0.00 176.83 176.63 1xz5 n LYS 139 N -3.70 4.66 0.17 4.77 5.02 -1.26 -4.57 118.16 123.25 1xz5 n LYS 139 Ca -0.01 -3.15 0.03 0.00 -2.02 0.00 0.00 58.31 53.15 1xz5 n LYS 139 Cb 0.44 -2.25 0.38 0.00 -0.02 0.00 0.00 35.03 33.58 1xz5 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz5 h TYR 140 N 3.71 0.08 0.00 2.13 0.99 -1.88 -3.46 116.97 118.55 1xz5 h TYR 140 Ca 0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1xz5 h TYR 140 Cb 2.04 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 39.74 1xz5 h TYR 140 CO 1.12 0.36 0.00 2.89 -0.00 0.00 0.00 178.16 182.52